1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea

C15H20ClN5O — CID 118793816

IUPAC1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n(C(C)CNC(=O)Nc2ccc(Cl)nc2C)n1
InChIInChI=1S/C15H20ClN5O/c1-9-7-10(2)21(20-9)11(3)8-17-15(22)19-13-5-6-14(16)18-12(13)4/h5-7,11H,8H2,1-4H3,(H2,17,19,22)
InChIKeyRAIWCSHWHHYZKY-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.24
Rot. Bonds4

About 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea

1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea (PubChem CID 118793816) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
PubChem CID118793816
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n(C(C)CNC(=O)Nc2ccc(Cl)nc2C)n1
InChIInChI=1S/C15H20ClN5O/c1-9-7-10(2)21(20-9)11(3)8-17-15(22)19-13-5-6-14(16)18-12(13)4/h5-7,11H,8H2,1-4H3,(H2,17,19,22)
InChIKeyRAIWCSHWHHYZKY-UHFFFAOYSA-N
XLogP3.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 97444689
1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 118762797
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
CID 95125643
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 97436288
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 125165743
4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 114049220
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
CID 74234825
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea (CID 118793816) is 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea.
What is the SMILES notation for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The canonical SMILES for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea is Cc1cc(C)n(C(C)CNC(=O)Nc2ccc(Cl)nc2C)n1.
What is the InChIKey of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The InChIKey is RAIWCSHWHHYZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9-7-10(2)21(20-9)11(3)8-17-15(22)19-13-5-6-14(16)18-12(13)4/h5-7,11H,8H2,1-4H3,(H2,17,19,22).
What are the key properties of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea has a molecular weight of 321.81 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea is sourced from PubChem (CID 118793816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).